(2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate

C10H19NOS3 — CID 10945350

IUPAC(2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate
SMILESCSCC(O)CSC(=S)N1CCCCC1
InChIInChI=1S/C10H19NOS3/c1-14-7-9(12)8-15-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3
InChIKeyZJMFFFWOUUEQPU-UHFFFAOYSA-N
MW265.47 g/mol
LogP2.21
Rot. Bonds4

About (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate

(2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate (PubChem CID 10945350) has the molecular formula C10H19NOS3 and a molecular weight of 265.47 g/mol. Its IUPAC name is (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate.

Molecular Properties

Compound Name(2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate
PubChem CID10945350
Molecular FormulaC10H19NOS3
Molecular Weight265.47 g/mol
Exact Mass265.06
IUPAC Name(2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate
SMILESCSCC(O)CSC(=S)N1CCCCC1
InChIInChI=1S/C10H19NOS3/c1-14-7-9(12)8-15-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3
InChIKeyZJMFFFWOUUEQPU-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(Butylthio)-3-piperidin-1-ylpropan-2-ol
CID 2858776
4-Hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione
CID 139230873
3-Butyl-4-hydroxy-6-methyl-1,3-thiazinane-2-thione
CID 139230875
2-Hydroxy-3-(piperidin-1-yl)propyl piperidine-1-carbodithioate
CID 86246157
2-Hydroxypropyl piperidine-1-carbodithioate
CID 10889415
2-hydroxypropyl N,N-dibutylcarbamodithioate
CID 15742902
(2-hydroxy-3-methylsulfanylpropyl) N,N-dibutylcarbamodithioate
CID 20756511
2,3-Dihydroxypropyl piperidine-1-carbodithioate
CID 53251699
2-hydroxypropyl N,N-diethylcarbamodithioate
CID 89984368
1-(2-Methylsulfanylethyl)piperidin-4-ol
CID 115573405
[3-Hydroxy-2-(hydroxymethyl)propyl] piperidine-1-carbodithioate
CID 123521015
3-Ethylsulfanyl-1-methylpiperidin-4-ol
CID 146631423

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate?
The IUPAC name of (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate (CID 10945350) is (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate.
What is the SMILES notation for (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate?
The canonical SMILES for (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate is CSCC(O)CSC(=S)N1CCCCC1.
What is the InChIKey of (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate?
The InChIKey is ZJMFFFWOUUEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS3/c1-14-7-9(12)8-15-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3.
What are the key properties of (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate?
(2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate has a molecular weight of 265.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylsulfanylpropyl) piperidine-1-carbodithioate is sourced from PubChem (CID 10945350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).